2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]oxiran-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetrakis(oxidanylidene)-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]oxiran-2-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6,6-dimethyl-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]oxiran-2-yl]phenyl]acetic acid CAS Name: 2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]-2-oxiranyl]phenyl]acetic acid IUPAC Name: 2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]oxiran-2-yl]phenyl]acetic acid Traditional Name: 2-[4-[(2R,3R)-3-[(1S)-1-[(3S,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-2,5,9,12-tetraketo-6,6-dimethyl-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]ethyl]oxiran-2-yl]phenyl]acetic acid Formula: C38H47ClN2O10 MolecularWeight: 727.24018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C3C(O3)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC(=C(C=C2)OC)Cl)[C@@H]3[C@H](O3)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C38H47ClN2O10/c1-21(2)16-30-36(46)49-28(22(3)33-34(51-33)25-13-10-23(11-14-25)19-32(43)44)8-7-9-31(42)41-27(18-24-12-15-29(48-6)26(39)17-24)35(45)40-20-38(4,5)37(47)50-30/h7,9-15,17,21-22,27-28,30,33-34H,8,16,18-20H2,1-6H3,(H,40,45)(H,41,42)(H,43,44)/b9-7+/t22-,27+,28-,30-,33+,34+/m0/s1